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Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!2025-02-06
31 Results for "
π-π interaction
" in MedChemExpress (MCE) Product Catalog:
Products (31)
31 Results for "π-π interaction" in MCE Product Catalog:
1
1 Cited Publications
Domaines de recherche:
IDO1/TDO-IN-4 is a potent IDO1/TDO dual inhibitor, with IC50 values of 3.53 μM (IDO1) and 1.15 μM (TDO). IDO1/TDO-IN-4 forms hydrogen bond with IDO1, and π−π stacking interaction with TDO. IDO1/TDO-IN-4 can be used in the research of depression, and depression-induced infectious, metabolic, and autoimmune disorders .
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Ketones, Aldehydes, Acids Other Diseases Phenols Polyphenols Endogenous metabolite Disease Research Fields
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Cat. No.: HY-177063
CAS No.: 296790-70-0
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IL-6-IN-2 is an interleukin-6 (IL-6) inhibitor. IL-6-IN-2 binds to IL-6 at Lys66, Phe74, Gln175, Ser176, and Arg179 via π-π, π-alkyl, hydrogen bond, and hydrophobic interactions to block IL-6/IL-6R heterocomplex formation. IL-6-IN-2 exhibits low gastrointestinal absorption rate. IL-6-IN-2 can be used for the research of cytokine release syndrome, covid-19 .
Cat. No.: HY-W009641
CAS No.: 24463-15-8
Synonyms: PyM; 1-HMP
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1-Pyrenemethanol is an organic compound that can be used to prepare graphene films with excellent thermal conductivity, flexibility and mechanical properties. 1-Pyrenemethanol binds to graphene oxide sheets through hydrogen bonds and π-π interactions to form GO-PyM films, increasing the dispersion and stability of the material .
Cat. No.: HY-149826
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MTHFD2-IN-2 is a selective MTHFD2 inhibitor with poor binding to MTHFD1. MTHFD2-IN-2 binds to the MTHFD2 substrate binding site, forming π-π stacking with Tyr84, hydrogen bond/salt-bridge contacts with Arg43 and Asn87, and lipophilic interactions with Ile276. MTHFD2-IN-2 exhibits predicted anticancer activity. MTHFD2-IN-2 can be used for the research of cancer .
Cat. No.: HY-32927
CAS No.: 150255-96-2
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3-Cyanophenylboronic acid is an arylboronic acid-based boronic acid reagent that serves as a coupling partner in Suzuki-Miyaura cross-coupling reactions. 3-Cyanophenylboronic acid participates in reactions to synthesize 4'-propoxybiphenyl-3-carbonitrile .
Cat. No.: HY-33821
CAS No.: 171049-41-5
LXRβ ligand 1 is a LXR β ligand-binding domain agonist, with an EC50 of 57 μM and a Ki of 28 μM against human LXR β. LXRβ ligand 1 forms hydrogen bonds with His435, stabilizes the His-Trp activation switch, and locks the ligand-binding domain in an agonist conformation; its tert-butyl moiety occupies a hydrophobic subpocket, while its phenyl moiety forms a π-π stacking interaction with Phe329. LXRβ ligand 1 serves as a structural unit for the development of LXRβ modulators .
Cat. No.: HY-169228
CAS No.: 2759280-09-4
WS-11 is a non-covalent reversible BTK inhibitor with IC50s of 3.9 nM and 2.2 nM for wild type, C481S mutation BTK, respectively. WS-11 can form strong π-π interaction with PHE540 and form p-π interaction with LYS430 within the active pocket, besides the strong hydrogen bonds .
Cat. No.: HY-151209
CAS No.: 2032436-79-4
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MAO-B-IN-15 is a selective MAO-B inhibitor (IC50: 13.5 μM) that forms π-π interaction with Tyr 326 residue. MAO-B-IN-15 can be used in the research of Parkinson’s disease .
Cat. No.: HY-151405
CAS No.: 1050587-57-9
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Z164597606 is a selective BChE inhibitor (IC50: 1.3 and 1.7 μM for eqBChE and hBChE). Z164597606 forms a π-π stacking interaction with the amino acid Trp82 of hBChE. Z164597606 can be used for the research of Alzheimer’s disease (AD) .
Cat. No.: HY-78985S
CAS No.: 62790-27-6
Synonyms: Trimesic acid-d3
Cat. No.: HY-187378
CAS No.: 3124322-98-8
HPPD-IN-12 is an inhibitor of Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase (AtHPPD), with an IC50 of 27.8 μM and a Kd of 1.535 μM. HPPD-IN-12 binds to AtHPPD via Fe 2+ coordination, π-π interactions and hydrogen bonds. HPPD-IN-12 can be used in herbicide-related research .
Cat. No.: HY-173263
CAS No.: 3078693-67-8
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AChE-IN-86 (Compound 6f) is an inhibitor of enzyme acetylcholinesterase (AChE) with IC50 values of 25.33 μg/mL. AChE-IN-86 exerts inhibitory activity against AChE through forming hydrogen bonds, π-π and π-alkyl interactions with amino acid residues at the key catalytic sites of AChE. AChE-IN-86 can be used for Alzheimer's disease study .
Cat. No.: HY-187374
HPPD-IN-11 is an inhibitor of Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase (AtHPPD), with a Ki value of 0.016 μM, and exhibits herbicidal activity. HPPD-IN-11 enhances π-π interactions with Phe360 and Phe403 in the active site of AtHPPD, thereby strengthening its enzyme-binding ability. HPPD-IN-11 can be used in studies related to weed damage .
Cat. No.: HY-187377
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α-Glucosidase-IN-121 is a yeast α-glucosidase inhibitor with an IC50 of 3.8 μM and a Ki of 12.9 μM. α-Glucosidase-IN-121 binds to the active site of the enzyme, competes with substrate binding, and forms stable interactions with Phe137, Ser308, Pro309, Arg312 and Glu350 via hydrogen bonding, π-π stacking and hydrophobic interactions. α-Glucosidase-IN-121 can be used in the research of diabetes .
Cat. No.: HY-181171
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HIT-2 is an estrogen receptor alpha (ERα) inhibitor that can bind to the ERα ligand binding domain. HIT-2 forms stable interactions including hydrogen bonds, π-π stacking, and hydrophobic contacts to disrupt ERα-driven signaling. HIT-2 exhibits antineoplastic activity against breast cancer. HIT-2 can be used for the research of breast cancer .
Cat. No.: HY-187679
CAS No.: 3087062-38-9
Anticancer agent 358 is a PARP inhibitor with antiproliferative activity against lung cancer cells and low toxicity to normal hepatocytes. Anticancer agent 358 binds to the active site of PARP via hydrogen bonds and π-π interactions with key residues, thereby promoting the accumulation of DNA damage. Anticancer agent 358 induces DNA damage, apoptosis, and autophagy in lung cancer cells. Anticancer agent 358 can be used for the research of non-small cell lung cancer .
Cat. No.: HY-103084
CAS No.: 2109805-65-2
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PDE5-IN-1 is an orally active, selective PDE5 inhibitor with an IC50 of 5.6 nM. PDE5-IN-1 forms hydrogen bond interactions with the Q817 residue in the catalytic domain of PDE5, and aromatic π-π stacking interactions with the F820 residue. PDE5-IN-1 exerts anti-cardiac hypertrophy and vasodilatory effects, reduces mean pulmonary arterial pressure and right ventricular hypertrophy index. PDE5-IN-1 can be used in the research of pulmonary arterial hypertension .
Cat. No.: HY-187383
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Carbonic anhydrase-IN-40 is a human carbonic anhydrase I/II inhibitor, with an IC50 of 16.900 nM against hCA I and an IC50 of 4.682 nM against hCA II. Carbonic anhydrase-IN-40 binds to the active site of the enzyme, coordinates with the catalytic zinc ion, forms π-π stacking interactions with active site residues, and makes hydrophobic contacts with the hydrophobic pocket. Carbonic anhydrase-IN-40 can serve as a lead compound for studies related to carbonic anhydrase inhibitors .
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Protocols
Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!A suitable model is crucial in drug screening experiments. Organs can mimic the three-dimensional functional structure of internal organs, have similar spatial organization to corresponding organs, maintain some key characteristics, and reproduce some physiological functions. They are widely used for modeling and personalized drug screening physiological functions.2025-02-06
